# The Talaris2013 score function combines several improvements to the previous # default score function, score12: the 2010 Dunbrack Rotamer Library, # the sp2 hydrogen bond potential, an explicit electrostatics term with a # distance dependent dielectric (and a removal of the previous knowledge- # based electrostatic potential, fa_pair), an adjustment to the LK_DGFREE # parameters for four atom types, the 05.2009 ideal coordinates for # the amino acids, an expansion of hydroxyl sampling for serine and # threonine, the use of bicubic-spline interpolation in our knowledge- # based potentials, an improved disulfide potential, and an analytic # evaluation of our Lennard-Jones and EEF1 potentials. # # This set of defaults was elected at the energy function meeting at the # Talaris conference center in Seattle in May 2013. They were demoted # from default at the March 2016 WinterRosettaCon, in favor of talaris2014. # # Reference energies were fit with optE on Jane Richardson's HiQ54 benchmark # set in triplicate, and tested on the Ding & Dokholyan 38 set. The # set of reference energies with the highest sequence recovery (39.4%) was # chosen. # METHOD_WEIGHTS ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 fa_atr 0.8 fa_rep 0.44 fa_sol 0.75 fa_intra_rep 0.004 fa_elec 1.0 pro_close 1 hbond_sr_bb 1.17 hbond_lr_bb 1.17 hbond_bb_sc 1.17 hbond_sc 1.1 dslf_fa13 1.0 rama 0.2 omega 0.5 fa_dun 0.56 p_aa_pp 0.32 e_pH 1.00 ref 1